9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine

C47H35N — CID 169039700

IUPAC9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4ccccc4c3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C47H35N/c1-47(2)44-28-27-41(31-43(44)46-42(17-10-18-45(46)47)35-13-4-3-5-14-35)48(40-26-23-33-12-7-9-16-37(33)30-40)39-24-21-34(22-25-39)38-20-19-32-11-6-8-15-36(32)29-38/h3-31H,1-2H3
InChIKeyMIRWAVQDZBUZMM-UHFFFAOYSA-N
MW613.80 g/mol
LogP13.10
Rot. Bonds5

About 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine

9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine (PubChem CID 169039700) has the molecular formula C47H35N and a molecular weight of 613.80 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine
PubChem CID169039700
Molecular FormulaC47H35N
Molecular Weight613.80 g/mol
Exact Mass613.28
IUPAC Name9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4ccccc4c3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C47H35N/c1-47(2)44-28-27-41(31-43(44)46-42(17-10-18-45(46)47)35-13-4-3-5-14-35)48(40-26-23-33-12-7-9-16-37(33)30-40)39-24-21-34(22-25-39)38-20-19-32-11-6-8-15-36(32)29-38/h3-31H,1-2H3
InChIKeyMIRWAVQDZBUZMM-UHFFFAOYSA-N
XLogP13.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.80
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
7,7-dimethyl-N-naphthalen-2-yl-1-phenyl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
CID 167232157
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-[4-(1-phenylcyclohexyl)phenyl]fluoren-3-amine
CID 174254708
3-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 169039754
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline
CID 169039821
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-1-naphthalen-2-yl-N-(4-phenylphenyl)benzo[a]phenalen-10-amine
CID 167232049
9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-yl-5-phenylfluoren-3-amine
CID 169039849
7,7-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]fluoren-2-amine
CID 169285597
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168788554
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphthalen-1-amine
CID 169019753
9,9-dimethyl-5-naphthalen-2-yl-3-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170529491
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019813

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine (CID 169039700) is 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine is CC1(C)c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4ccccc4c3)cc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine?
The InChIKey is MIRWAVQDZBUZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N/c1-47(2)44-28-27-41(31-43(44)46-42(17-10-18-45(46)47)35-13-4-3-5-14-35)48(40-26-23-33-12-7-9-16-37(33)30-40)39-24-21-34(22-25-39)38-20-19-32-11-6-8-15-36(32)29-38/h3-31H,1-2H3.
What are the key properties of 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine?
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine has a molecular weight of 613.80 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-5-phenylfluoren-3-amine is sourced from PubChem (CID 169039700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).